6-[(2R)-2-(2-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(2R)-2-(2-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2R)-2-(o-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(2R)-2-(2-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2R)-2-(2-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2R)-2-(o-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H19NOS MolecularWeight: 345.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

Isomeric SMILES

CC1=CC=CC=C1[C@H]2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

InChI

InChI=1S/C22H19NOS/c1-15-8-2-3-9-16(15)22-14-19(17-10-4-6-12-20(17)24)23-18-11-5-7-13-21(18)25-22/h2-13,22-23H,14H2,1H3/t22-/m1/s1